Acetone

Acetone

SCHEMBL8337337

CC(=CC(C)O)C(=O)O.CC(C)=O

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
PTGS1 P23219 1/20 0.33
AKR1C3 P42330 1/20 0.33
APEX1 P27695 2/20 0.32
LMNA P02545 1/20 0.32
FFAR3 O14843 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16093 0.97
SCHEMBL37709 0.97
SCHEMBL28181082 0.95 TP53 (0.36) TP53PTGS1AKR1C3APEX1FFAR3
SCHEMBL1534019 0.90 TP53 (0.33) TP53PTGS1AKR1C3APEX1
Methacrylic Acid SCHEMBL4288229 0.88 TP53 (0.32) TP53PTGS1AKR1C3
Phosphoric Acid SCHEMBL1137799 0.88 GRIN2D (0.33) TP53PTGS1AKR1C3
Succinic Acid SCHEMBL17363356 0.86 LMNA (0.42) LMNAFFAR3
SCHEMBL8426286 0.83 GAPDH (0.33)
SCHEMBL9684504 0.83 TP53 (0.33) TP53
Allylamine SCHEMBL10984211 0.81 ALDH1A1 (0.35)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0914661-A1 CONDUCTIVE COMPOSITE ARTICLES BASED ON EXPANDABLE AND CONTRACTIBLE PARTICULATE MATRICES ZMS, LLC (US) 1999-05-12 EP disclosed
EP-0914661-A4 1999-05-12 EP disclosed
WO-1997015932-A1 CONDUCTIVE COMPOSITE ARTICLES BASED ON EXPANDABLE AND CONTRACTIBLE PARTICULATE MATRICES ZMS, LLC (US) 1997-05-01 WO disclosed